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towhee-doc-7.0.1-1.fc14.noarch.rpm

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  <title>MCCCS Towhee (faux2towhee)</title>
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     <div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS Towhee (faux2towhee)</font></b> </font> </div>
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     <p>&nbsp; </p>
     <p>&nbsp;</p>
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     <dt><b>Overview</b> 
      <ul>
       This section explains the faux2towhee utility program.  This program is designed to translate some zeolite coordinate files that were kindly provided
       to me by David Faux into a format suitable for Towhee. This utility is unlikely to be of use to anyone else, but may serve as an example for other
       one-time file translations.
      </ul>
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     <dt><b>Compiling</b> 
      <ul>
       faux2towhee may be compiled using the Utility Makefile
       <ul>
        <dt>cd /towheebase/Utils</dt>
        <dt>make faux2towhee</dt>
       </ul>
       This creates the faux2towhee executable that can then be run from the command line.
      </ul>
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     <dt><b>Features</b> 
      <ul>
       This is a very crude routine and requires the user to edit the Fortran code in order to set variables like the file names and Towhee inpstyle.
       It requires two files named faux_4a.atoms and faux_4a.ang and it outputs a towhee_altinp and towhee_coords file that were used to setup 
       the zeolite portion of the <a href="../examples/example_manual.html#Catlow_Zeolite_4a">Catlow_Zeolite_4a</a> example.
      </ul>
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     <a href="utility_summary.html">Return to the Utility Summary page</a> 
     <p>&nbsp;</p>
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  <i><font size="2">Send comments to:</font></i> <font size="2"> <a href="mailto:marcus_martin@users.sourceforge.net">Marcus G. Martin</a><br>
  <i>Last updated:</i> <!-- #BeginDate format:Am1 -->June 11, 2009<!-- #EndDate -->
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